General Information of the Compound
| Compound ID |
CP0509255
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| Compound Name |
US10047092, 58
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| Structure |
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| Formula |
C23H27ClF3N5O3
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| Molecular Weight |
513.948
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)C1CCN(C1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C23H27ClF3N5O3/c1-13-10-32-18(15-8-9-30(11-15)21(34)35-22(2,3)4)28-29-19(32)20(33)31(13)12-14-6-5-7-16(17(14)24)23(25,26)27/h5-7,13,15H,8-12H2,1-4H3/t13-,15?/m0/s1
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| InChIKey |
IMDCTSJDMRJRMO-CFMCSPIPSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7